Penrakis(di merhy lam i no)ranralum(V) CAS#: 19824-59-0; 凯望编码 (ChemWhat Code): 1417277
Identification
| 英文名 | PENTAKIS(DIMETHYLAMINO)TANTALUM |
| IUPAC Name | dimethylazanide;tantalum(5+) |
| 分子结构 |  |
| CAS编号 | 19824-59-0 |
| MDL Number | MFCD01631286 |
| 别名 | 19824-59-0 Pentakis(dimethylamino)tantalum(V) Tantalum, pentakis(dimethylamino)- dimethylazanide;tantalum(5+) dimethyl[tetrakis(dimethylamino)tantalio]amine Methanamine, N-methyl-, tantalum(5+) salt (5:1) Pentakis(dimethylamino)tantalum Ta(NMe2)5 MFCD01631286 SCHEMBL210404 DTXSID60173547 AKOS030529748 Pentakis(dimethylamino)tantalum, INTEGRA AS-67586 Pentakis(dimethylamino)tantalum(V), 99.99% |
| 分子式 | C10H30N5Ta |
| 分子量 | 401.33 |
| InChI | InChI=1S/5C2H6N.Ta/c5*1-3-2;/h5*1-2H3;/q5*-1;+5 |
| InChI Key | VSLPMIMVDUOYFW-UHFFFAOYSA-N |
| Isomeric SMILES | C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Ta+5] |
Physical Data
| Appearance | White to yellow to dark orange solid |
| Chloride ion | ≤10ppm |
| Purity | 99.9% min |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C |
| Chemical shifts, Spectrum | 1H | ||
| Spectrum | 1H | benzene-d6 | |
| 1H | benzene-d6 | 30 |
| Description (IR Spectroscopy) |
| ATR (attenuated total reflectance), Bands |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: tantalum pentachloride; dimethyl amine In n-heptane; water at -20℃; for 10h; Inert atmosphere; Stage #2: With n-butyllithium In n-heptane; water at -20℃; for 22h; Temperature; Solvent; Reflux; Experimental Procedure Under an argon atmosphere, 720 g of tantalum pentachloride and 2000 ml of water were charged into the reaction vesselN-heptane,Under stirring, 540 grams of anhydrous dimethylamine was added to the reaction kettle,The addition rate was maintained at -20 ° C,After the temperature was added to maintain the system for 10 hours,Then, n-butyllithium n-heptane (4400 ml, 2.5 mol / L)The temperature of the system was maintained at -20 ° C during the addition process, and the reaction was completed for 18 hours and then refluxed for 4 hours.Cooling first decompression to 1000Pa distilled solvent n-heptane, the temperature was 50 . After the solvent is evaporated to dryness, the solid is transferred to a sublimer,Finally, the pressure was again reduced to 50Pa sublimation products pentamethylamino) tantalum, the temperature is 50-100 , to give the productPenta (dimethylamino) tantalum698.4 g, yield 87.3%. | 87.3% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Danger |
| GHS Hazard Statements | H228 (98.39%): Flammable solid [Danger Flammable solids] H260 (98.39%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
| Precautionary Statement Codes | P210, P223, P231+P232, P240, P241, P260, P264, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 401.33 |
| HBA | 5 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 16.2 |
| Rotatable Bond (RotB) | 5 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Penrakis(di merhy lam i no)ranralum(V) CAS#：19824-59-0 may be used as a catalyst in certain reactions, particularly in organic synthesis. Tantalum-containing compounds can facilitate the formation of specific organic compounds. And sometimes employed as catalysts in hydrogenation reactions, especially in organic synthesis, to promote the hydrogenation of organic compounds. |
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